Detailed information for compound 1575992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 7537.61 | Formula: C211H262N76O143P22S22
  • H donors: 55 H acceptors: 91 LogP: -48.67 Rotable bonds: 134
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OCC(COP(=O)(O[C@@H]1[C@@H](COP(=O)(O[C@@H]2[C@@H](COP(=O)(O[C@@H]3[C@@H](COP(=O)(O[C@@H]4[C@@H](COP(=O)(O[C@@H]5[C@@H](COP(=O)(O[C@@H]6[C@@H](COP(=O)(O[C@@H]7[C@@H](COP(=O)(O[C@@H]8[C@@H](COP(=O)(O[C@@H]9[C@@H](COP(=O)(O[C@@H]%10[C@@H](COP(=O)(O[C@@H]%11[C@@H](CO)O[C@H]([C@@H]%11O)n%11ccc(=O)[nH]c%11=O)S)O[C@H]([C@@H]%10O)n%10cnc%11c%10nc(N)[nH]c%11=O)S)O[C@H]([C@@H]9O)n9ccc(=O)[nH]c9=O)S)O[C@H]([C@@H]8O)n8ccc(=O)[nH]c8=O)S)O[C@H]([C@@H]7O)n7cnc8c7nc(N)[nH]c8=O)S)O[C@H]([C@@H]6O)n6ccc(=O)[nH]c6=O)S)O[C@H]([C@@H]5O)n5cnc6c5nc(N)[nH]c6=O)S)O[C@H]([C@@H]4O)n4ccc(=O)[nH]c4=O)S)O[C@H]([C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)S)O[C@H]([C@@H]2O)n2cnc3c2ncnc3N)S)O[C@H]([C@@H]1O)n1ccc(nc1=O)N)S)O)S)O)n1ccc(nc1=O)N)S)O)n1cnc2c1ncnc2N)S)O)n1cnc2c1nc(N)[nH]c2=O)S)O)n1ccc(=O)[nH]c1=O)S)O)n1cnc2c1nc(N)[nH]c2=O)S)O)n1ccc(=O)[nH]c1=O)S)O)n1cnc2c1nc(N)[nH]c2=O)S)O)n1ccc(=O)[nH]c1=O)S)O)n1ccc(=O)[nH]c1=O)S)O)n1cnc2c1nc(N)[nH]c2=O)S)O)n1ccc(=O)[nH]c1=O
  • InChi: 1S/C211H262N76O143P22S22/c212-84-1-13-266(200(331)238-84)172-108(303)130(64(389-172)29-371-443(355,465)421-140-74(399-182(118(140)313)278-51-228-96-150(214)224-49-226-152(96)278)39-379-451(363,473)429-148-82(407-190(126(148)321)286-59-236-104-160(286)256-198(222)264-168(104)329)47-385-441(353,463)419-138-72(397-180(116(138)311)276-23-11-94(299)248-210(276)341)37-377-449(361,471)427-146-80(405-188(124(146)319)284-57-234-102-158(284)254-196(220)262-166(102)327)45-383-439(351,461)417-136-70(395-178(114(136)309)274-21-9-92(297)246-208(274)339)35-375-447(359,469)425-144-78(403-186(122(144)317)282-55-232-100-156(282)252-194(218)260-164(100)325)43-381-437(349,459)415-134-66(391-176(112(134)307)272-19-7-90(295)244-206(272)337)31-369-435(347,457)413-132-68(393-174(110(132)305)270-17-5-88(293)242-204(270)335)33-373-445(357,467)423-142-76(401-184(120(142)315)280-53-230-98-154(280)250-192(216)258-162(98)323)41-367-433(345,455)409-128-62(25-288)387-170(106(128)301)268-15-3-86(291)240-202(268)333)411-431(343,453)365-27-61(290)28-366-432(344,454)412-131-65(390-173(109(131)304)267-14-2-85(213)239-201(267)332)30-372-444(356,466)422-141-75(400-183(119(141)314)279-52-229-97-151(215)225-50-227-153(97)279)40-380-452(364,474)430-149-83(408-191(127(149)322)287-60-237-105-161(287)257-199(223)265-169(105)330)48-386-442(354,464)420-139-73(398-181(117(139)312)277-24-12-95(300)249-211(277)342)38-378-450(362,472)428-147-81(406-189(125(147)320)285-58-235-103-159(285)255-197(221)263-167(103)328)46-384-440(352,462)418-137-71(396-179(115(137)310)275-22-10-93(298)247-209(275)340)36-376-448(360,470)426-145-79(404-187(123(145)318)283-56-233-101-157(283)253-195(219)261-165(101)326)44-382-438(350,460)416-135-67(392-177(113(135)308)273-20-8-91(296)245-207(273)338)32-370-436(348,458)414-133-69(394-175(111(133)306)271-18-6-89(294)243-205(271)336)34-374-446(358,468)424-143-77(402-185(121(143)316)281-54-231-99-155(281)251-193(217)259-163(99)324)42-368-434(346,456)410-129-63(26-289)388-171(107(129)302)269-16-4-87(292)241-203(269)334/h1-24,49-83,106-149,170-191,288-290,301-322H,25-48H2,(H,343,453)(H,344,454)(H,345,455)(H,346,456)(H,347,457)(H,348,458)(H,349,459)(H,350,460)(H,351,461)(H,352,462)(H,353,463)(H,354,464)(H,355,465)(H,356,466)(H,357,467)(H,358,468)(H,359,469)(H,360,470)(H,361,471)(H,362,472)(H,363,473)(H,364,474)(H2,212,238,331)(H2,213,239,332)(H2,214,224,226)(H2,215,225,227)(H,240,291,333)(H,241,292,334)(H,242,293,335)(H,243,294,336)(H,244,295,337)(H,245,296,338)(H,246,297,339)(H,247,298,340)(H,248,299,341)(H,249,300,342)(H3,216,250,258,323)(H3,217,251,259,324)(H3,218,252,260,325)(H3,219,253,261,326)(H3,220,254,262,327)(H3,221,255,263,328)(H3,222,256,264,329)(H3,223,257,265,330)/t61?,62-,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,431?,432?,433?,434?,435?,436?,437?,438?,439?,440?,441?,442?,443?,444?,445?,446?,447?,448?,449?,450?,451?,452?/m1/s1
  • InChiKey: PQIVNPSNBZBPKU-GNYQBKPBSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Trypanosoma cruzi Replication factor A protein 1 0.0013 0.0239 0.1905
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.001 0.0138 0.0478
Schistosoma mansoni endothelin-converting enzyme-related 0.002 0.05 0.1727
Brugia malayi peptidase family M13 containing protein 0.002 0.05 0.1727
Toxoplasma gondii transporter, major facilitator family protein 0.0034 0.106 0.3665
Echinococcus multilocularis agrin 0.0023 0.0638 0.0638
Leishmania major cathepsin L-like protease 0.001 0.0129 0.1028
Echinococcus granulosus cathepsin L cysteine proteinase 0.001 0.0129 0.0129
Brugia malayi prostaglandin transporter 0.0034 0.106 0.3665
Trypanosoma cruzi MFS transporter, putative 0.0034 0.106 0.8469
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0034 0.106 0.3665
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Loa Loa (eye worm) hypothetical protein 0.0031 0.0955 0.3302
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Echinococcus granulosus follistatin 0.0023 0.0638 0.0638
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0026 0.074 0.7029
Echinococcus granulosus cathepsin l1 0.001 0.0129 0.0129
Brugia malayi sodium-independent organic anion transporter family protein 0.0034 0.106 0.3665
Loa Loa (eye worm) hypothetical protein 0.006 0.2067 0.7146
Onchocerca volvulus 0.0034 0.106 0.7978
Echinococcus multilocularis cathepsin l cysteine peptidase 0.001 0.0129 0.0129
Trypanosoma cruzi cruzipain precursor, putative 0.0039 0.1252 1
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.002 0.05 0.1727
Loa Loa (eye worm) hypothetical protein 0.0016 0.0361 0.1248
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0008 0.0008
Onchocerca volvulus Putative organic anion transporter 0.0034 0.106 0.7978
Echinococcus granulosus intermediate filament protein 0.0016 0.0373 0.0373
Brugia malayi Cytochrome P450 family protein 0.0026 0.0731 0.2526
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1049 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0013 0.0239 0.2212
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.1252 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Brugia malayi Papain family cysteine protease containing protein 0.001 0.0129 0.0445
Loa Loa (eye worm) hypothetical protein 0.0081 0.2893 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.2122 0.7336
Leishmania major cathepsin L-like protease 0.001 0.0129 0.1028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1049 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0007 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0021 0.0555 0.1917
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0024 0.0681 0.4726
Loa Loa (eye worm) hypothetical protein 0.004 0.1297 0.4481
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.001 0.0129 0.0445
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.002 0.05 0.1727
Schistosoma mansoni cathepsin F (C01 family) 0.001 0.0129 0.0445
Schistosoma mansoni hypothetical protein 0.0067 0.2377 0.8217
Schistosoma mansoni hypothetical protein 0.0021 0.0555 0.1917
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.1272 0.4396
Onchocerca volvulus Putative organic anion transporter 0.0034 0.106 0.7978
Echinococcus multilocularis cysteine protease 0.001 0.0129 0.0129
Schistosoma mansoni neprilysin 0.0021 0.0555 0.1917
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0008 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0023 0.0638 0.2205
Schistosoma mansoni organic anion transporter 0.0034 0.106 0.3665
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0336 0.116
Schistosoma mansoni neprilysin-2 (M13 family) 0.0041 0.1325 0.4581
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Echinococcus multilocularis cathepsin l cysteine peptidase 0.001 0.0129 0.0129
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.0027 0.0792 0.0792
Brugia malayi cytoplasmic intermediate filament protein 0.0009 0.0074 0.0255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0008 0.0029
Onchocerca volvulus 0.004 0.1297 1
Brugia malayi replication factor A 73 kDa subunit 0.0027 0.0792 0.2738
Schistosoma mansoni hypothetical protein 0.0021 0.0555 0.1917
Echinococcus granulosus cathepsin l cysteine peptidase 0.001 0.0129 0.0129
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.001 0.0129 0.1156
Echinococcus multilocularis endothelin converting enzyme 1 0.0081 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0038 0.1232 0.4259
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.1142 0.1142
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0034 0.106 0.106
Brugia malayi SPARC precursor 0.0023 0.0638 0.2205
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0336 0.268
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0007 0.0008 0.0008
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0016 0.0373 0.1289
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Loa Loa (eye worm) hypothetical protein 0.0061 0.2122 0.7336
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0034 0.106 0.106
Echinococcus multilocularis cysteine protease 0.001 0.0129 0.0129
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.002 0.05 0.1727
Loa Loa (eye worm) hypothetical protein 0.0061 0.2122 0.7336
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Onchocerca volvulus 0.0034 0.106 0.7978
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.1142 0.1142
Brugia malayi hypothetical protein 0.0034 0.106 0.3665
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0008 0.0029
Onchocerca volvulus Putative organic anion transporter 0.0034 0.106 0.7978
Schistosoma mansoni lamin 0.0016 0.0373 0.1289
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0336 0.1412
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0041 0.1325 0.4581
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0008 0.0029
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0008 0.004 0.004
Leishmania major cathepsin L-like protease 0.001 0.0129 0.1028
Schistosoma mansoni cathepsin F (C01 family) 0.001 0.0129 0.0445
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.001 0.0129 0.1156
Brugia malayi Cytochrome P450 family protein 0.0015 0.0336 0.116
Brugia malayi secreted modular calcium-binding protein 1 0.0023 0.0638 0.2205
Loa Loa (eye worm) hypothetical protein 0.0023 0.0638 0.2205
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0007 0.0008 0.0008
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0008 0.0008
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0008 0.0008
Echinococcus multilocularis cathepsin L cysteine protease 0.001 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0007 0.0008 0.0029
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0035 0.112 0.8944
Toxoplasma gondii peptidase family M13 protein 0.0081 0.2893 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0081 0.2893 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.004 0.0137
Mycobacterium leprae probable zinc metalloprotease 0.0081 0.2893 1
Brugia malayi intermediate filament protein 0.0016 0.0373 0.1289
Loa Loa (eye worm) hypothetical protein 0.0061 0.2122 0.7336
Loa Loa (eye worm) hypothetical protein 0.001 0.0138 0.0478
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0081 0.2893 1
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0027 0.0792 0.7533
Schistosoma mansoni hypothetical protein 0.0021 0.0555 0.1917
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.1272 0.4396
Echinococcus granulosus endothelin converting enzyme 1 0.0081 0.2893 0.2893
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Loa Loa (eye worm) hypothetical protein 0.0081 0.2893 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Loa Loa (eye worm) hypothetical protein 0.006 0.2067 0.7146
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0041 0.1325 0.4581
Schistosoma mansoni lamin 0.0016 0.0373 0.1289
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0138 0.0478
Loa Loa (eye worm) hypothetical protein 0.0023 0.0638 0.2205
Schistosoma mansoni cellular tumor antigen P53 0.0038 0.1232 0.4259
Brugia malayi Cathepsin L-like precursor 0.001 0.0129 0.0445
Leishmania major replication factor A, 51kDa subunit, putative 0.0013 0.0239 0.1905
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0013 0.0239 0.0825
Loa Loa (eye worm) hypothetical protein 0.001 0.0129 0.0445
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.0027 0.0792 0.2738
Trypanosoma cruzi major cysteine proteinase, putative 0.003 0.0926 0.7396
Trypanosoma brucei RNA helicase, putative 0.0067 0.2377 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2067 0.7146
Echinococcus multilocularis expressed protein 0.0023 0.0638 0.0638
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0041 0.1325 0.4581
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0007 0.0008 0.0008
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.1142 0.3947
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0081 0.2893 1
Trypanosoma brucei Replication factor A protein 1 0.0013 0.0239 0.1004
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0138 0.0478
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0008 0.0029
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.0638 0.2205
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0336 0.268
Schistosoma mansoni follistatin 0.0023 0.0638 0.2205
Mycobacterium ulcerans zinc metalloprotease 0.0081 0.2893 1
Plasmodium vivax replication protein A1, large subunit, putative 0.0013 0.0239 1
Echinococcus multilocularis voltage gated potassium channel 0.001 0.0138 0.0138
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Brugia malayi Intermediate filament tail domain containing protein 0.0016 0.0373 0.1289
Loa Loa (eye worm) hypothetical protein 0.0081 0.2893 1
Onchocerca volvulus 0.0023 0.0638 0.4361
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0008 0.0008
Leishmania major cathepsin L-like protease 0.001 0.0129 0.1028
Toxoplasma gondii protease inhibitor PI2 0.0023 0.0638 0.2205
Loa Loa (eye worm) hypothetical protein 0.0016 0.0373 0.1289
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.002 0.05 0.1727
Loa Loa (eye worm) agrin synaptic family protein 0.0023 0.0638 0.2205
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.0638 0.2205
Leishmania major cathepsin L-like protease 0.0039 0.1252 1
Loa Loa (eye worm) zinc metallopeptidase 4 0.002 0.05 0.1727
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Loa Loa (eye worm) ctsf protein 0.001 0.0129 0.0445
Echinococcus multilocularis musashi 0.0016 0.0373 0.0373
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.002 0.05 0.1727
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0027 0.0792 0.7533
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0007 0.0008 0.0008
Schistosoma mansoni replication factor A 1 rfa1 0.0027 0.0792 0.2738
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Brugia malayi Cathepsin L-like precursor 0.001 0.0129 0.0445
Echinococcus granulosus potassium voltage gated channel subfamily H 0.001 0.0138 0.0138
Leishmania major cathepsin L-like protease 0.0039 0.1252 1
Onchocerca volvulus 0.0016 0.0373 0.209
Loa Loa (eye worm) papain family cysteine protease containing protein 0.001 0.0129 0.0445
Echinococcus granulosus voltage gated potassium channel 0.001 0.0138 0.0138
Brugia malayi sodium-independent organic anion transporter family protein 0.0034 0.106 0.3665
Schistosoma mansoni organic anion transporter 0.0034 0.106 0.3665
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0009 0.0074 0.0255
Brugia malayi Cytochrome P450 family protein 0.0015 0.0336 0.116
Onchocerca volvulus 0.0038 0.1232 0.9449
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0041 0.1325 0.4581
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0336 0.116
Brugia malayi Cathepsin L-like precursor 0.001 0.0129 0.0445
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.0638 0.2205
Loa Loa (eye worm) hypothetical protein 0.0023 0.0638 0.2205
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.1252 1
Echinococcus granulosus lamin dm0 0.0016 0.0373 0.0373
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0336 0.116
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0009 0.0065 0.0223
Onchocerca volvulus 0.0034 0.106 0.7978
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0731 0.2526
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Schistosoma mansoni hypothetical protein 0.0021 0.0555 0.1917
Brugia malayi sodium-independent organic anion transporter family protein 0.0034 0.106 0.3665
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.0638 0.2205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.0638 0.2205
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Loa Loa (eye worm) fibroinase 0.001 0.0129 0.0445
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Toxoplasma gondii cathepsin CPL 0.001 0.0129 0.0445
Loa Loa (eye worm) cysteine protease 0.001 0.0129 0.0445
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0023 0.0638 0.2205
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.0638 0.2205
Echinococcus granulosus lamin 0.0016 0.0373 0.0373
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Onchocerca volvulus 0.0034 0.106 0.7978
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0023 0.0638 0.2205
Plasmodium falciparum replication protein A1, large subunit 0.0013 0.0239 1
Echinococcus multilocularis lamin dm0 0.0016 0.0373 0.0373
Schistosoma mansoni hypothetical protein 0.0021 0.0555 0.1917
Schistosoma mansoni agrin 0.0023 0.0638 0.2205
Brugia malayi Cathepsin L-like precursor 0.001 0.0129 0.0445
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0034 0.106 0.106
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Loa Loa (eye worm) peptidase family M13 containing protein 0.006 0.2067 0.7146
Leishmania major cathepsin L-like protease 0.0039 0.1252 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Loa Loa (eye worm) hypothetical protein 0.006 0.2067 0.7146
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0008 0.0029
Schistosoma mansoni intermediate filament proteins 0.0016 0.0373 0.1289
Echinococcus multilocularis tumor protein p63 0.0261 1 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0028 0.0096
Trypanosoma cruzi cysteine peptidase, putative 0.0039 0.1252 1
Echinococcus multilocularis follistatin 0.0023 0.0638 0.0638
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0008 0.0029
Loa Loa (eye worm) hypothetical protein 0.0061 0.2122 0.7336
Loa Loa (eye worm) hypothetical protein 0.0061 0.2122 0.7336
Brugia malayi Peptidase family M13 containing protein 0.0081 0.2893 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.001 0.0129 0.1156
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0021 0.0555 0.1917
Brugia malayi Cathepsin L-like precursor 0.001 0.0129 0.0445
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0008 0.0029
Loa Loa (eye worm) hypothetical protein 0.0034 0.106 0.3665
Loa Loa (eye worm) peptidase family M13 containing protein 0.006 0.2067 0.7146
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.001 0.0138 0.0138
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0039 0.1252 0.5267
Trypanosoma cruzi cysteine peptidase, putative 0.001 0.0129 0.1028
Echinococcus multilocularis lamin 0.0016 0.0373 0.0373
Loa Loa (eye worm) intermediate filament protein 0.0016 0.0373 0.1289
Entamoeba histolytica replication factor A protein 1, putative 0.0012 0.0186 1
Leishmania major cathepsin L-like protease 0.001 0.0129 0.1028
Leishmania major cysteine peptidase A (CPA) 0.001 0.0129 0.1028
Onchocerca volvulus 0.0016 0.0373 0.209
Echinococcus granulosus agrin 0.0023 0.0638 0.0638
Leishmania major cytochrome p450-like protein 0.0015 0.0336 0.268
Brugia malayi Cathepsin L-like precursor 0.001 0.0129 0.0445
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.0129 0.1156
Brugia malayi Cyclic-nucleotide gated cation channel 0.0007 0.0008 0.0029
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0008 0.0029
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0023 0.0638 0.2205
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.0027 0.0792 0.0792
Echinococcus granulosus Solute carrier organic anion transporter family 0.0034 0.106 0.106
Echinococcus multilocularis cathepsin L cysteine protease 0.001 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0008 0.0028 0.0096
Onchocerca volvulus 0.0034 0.106 0.7978
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0336 0.116
Brugia malayi hypothetical protein 0.0034 0.106 0.3665
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.1142 0.3947

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Stimulation of immune response in C57BL/6 mouse assessed as induction of serum IL12 production at 50 mg/kg, sc after 2 hrs by luminex multiplex assay ChEMBL. 19269175
Activity (functional) Agonist activity at human TLR8 expressed in HEK293XL cells assessed as NF-kappaB activation after 18 hrs ChEMBL. 19269175
Activity (functional) Agonist activity at human TLR7 expressed in HEK293XL cells assessed as NF-kappaB activation at 300 ug/ml after 18 hrs ChEMBL. 19269175
Activity (functional) Agonist activity at human TLR7 expressed in HEK293XL cells assessed as NF-kappaB activation after 18 hrs ChEMBL. 19269175
Stability (ADMET) = 75 % Stability in human serum assessed as full-length compound remaining after 10 mins by anion-exchange HPLC ChEMBL. 19269175
Stability (ADMET) = 76 % Stability in human serum assessed as full-length compound remaining after 10 mins by anion-exchange HPLC ChEMBL. 19269175

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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